Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
0.8699 4.3035 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 4.1602 2.6445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 3.6882 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1204 2.4699 0.9412 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5712 1.8880 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4914 2.4592 -0.8627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0306 0.6246 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1746 -0.3669 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7540 -0.6219 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -0.0818 1.5283 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8050 -1.5112 0.5584 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4345 -1.8275 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4623 -2.4103 2.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6630 -3.6295 3.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 0.8983 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 -0.2665 -2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4355 -1.0904 -3.3774 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5144 -0.4851 -2.7559 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 -1.6274 -3.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5174 -1.6145 -3.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1056 -2.6200 -2.6046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9812 0.1351 0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 4.6437 4.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 4.0835 3.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 4.3827 2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8090 3.5445 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 4.4715 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 -1.3394 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9894 0.0075 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 -0.9517 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1993 -2.5918 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6064 -1.8487 3.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5181 -4.2135 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 -4.0712 3.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3321 1.7263 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 1.3799 -2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6329 -2.5041 -2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 -1.5956 -4.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1139 -0.7846 -3.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1856 -2.6671 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5400 -3.4452 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 -0.7006 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers